5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione

C7H9NS2 — CID 90730762

IUPAC5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1C1CC1
InChIInChI=1S/C7H9NS2/c1-4-6(5-2-3-5)10-7(9)8-4/h5H,2-3H2,1H3,(H,8,9)
InChIKeyVFNMUBAILZQPKI-UHFFFAOYSA-N
MW171.29 g/mol
LogP2.99
Rot. Bonds1

About 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione

5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione (PubChem CID 90730762) has the molecular formula C7H9NS2 and a molecular weight of 171.29 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione
PubChem CID90730762
Molecular FormulaC7H9NS2
Molecular Weight171.29 g/mol
Exact Mass171.02
IUPAC Name5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1C1CC1
InChIInChI=1S/C7H9NS2/c1-4-6(5-2-3-5)10-7(9)8-4/h5H,2-3H2,1H3,(H,8,9)
InChIKeyVFNMUBAILZQPKI-UHFFFAOYSA-N
XLogP2.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione (CID 90730762) is 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione is Cc1[nH]c(=S)sc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is VFNMUBAILZQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS2/c1-4-6(5-2-3-5)10-7(9)8-4/h5H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione?
5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 171.29 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 90730762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).